Difference between revisions of "CPD-13700"

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(Created page with "Category:Pathway == Pathway [http://metacyc.org/META/NEW-IMAGE?object=BETA-ALA-DEGRADATION-I-PWY BETA-ALA-DEGRADATION-I-PWY] == * taxonomic range: ** [http://metacyc.org/M...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13700 CPD-13700] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...")
 
Line 1: Line 1:
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[[Category:Pathway]]
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[[Category:Metabolite]]
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== Pathway [http://metacyc.org/META/NEW-IMAGE?object=BETA-ALA-DEGRADATION-I-PWY BETA-ALA-DEGRADATION-I-PWY] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13700 CPD-13700] ==
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* taxonomic range:
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* smiles:
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** [http://metacyc.org/META/NEW-IMAGE?object=TAX-40674 TAX-40674]
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** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
 
* common name:
 
* common name:
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** β-alanine degradation I
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** 3-oxo-4-pregnene-20-carboxyl-CoA
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* inchi key:
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** InChIKey=CJJBDUCNUMWUJX-ZKTJOKCMSA-J
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* molecular weight:
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** 1089.98   
 
* Synonym(s):
 
* Synonym(s):
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** 4-BNC-CoA
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** androst-4-en-3-one-17-propanoyl-CoA
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** 3-one-23,24-bisnorchol-4-en-22-yl-CoA
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** pregenenone-coA
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** 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA
  
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== Reaction(s) found ==
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== Reaction(s) known to consume the compound ==
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'''1''' reactions found over '''2''' reactions in the full pathway
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== Reaction(s) known to produce the compound ==
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* [[RXN-2902]]
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* [[RXN-12710]]
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** 1 associated gene(s):
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== Reaction(s) of unknown directionality ==
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*** [[Tiso_gene_11323]]
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** 1 reconstruction source(s) associated:
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*** [[annotation-in-silico_annotation]]
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== Reaction(s) not found ==
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* [http://metacyc.org/META/NEW-IMAGE?object=RXN-2901 RXN-2901]
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== External links  ==
 
== External links  ==
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* LIGAND-MAP:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?MAP00410 MAP00410]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658487 90658487]
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{{#set: taxonomic range=TAX-40674}}
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* CHEBI:
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{{#set: common name=β-alanine degradation I}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83792 83792]
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{{#set: reaction found=1}}
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{{#set: smiles=CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))}}
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{{#set: total reaction=2}}
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{{#set: common name=3-oxo-4-pregnene-20-carboxyl-CoA}}
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{{#set: completion rate=50.0}}
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{{#set: inchi key=InChIKey=CJJBDUCNUMWUJX-ZKTJOKCMSA-J}}
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{{#set: molecular weight=1089.98    }}
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{{#set: common name=4-BNC-CoA|androst-4-en-3-one-17-propanoyl-CoA|3-one-23,24-bisnorchol-4-en-22-yl-CoA|pregenenone-coA|3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA}}
 +
{{#set: produced by=RXN-12710}}

Latest revision as of 19:30, 21 March 2018

Metabolite CPD-13700

  • smiles:
    • CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))
  • common name:
    • 3-oxo-4-pregnene-20-carboxyl-CoA
  • inchi key:
    • InChIKey=CJJBDUCNUMWUJX-ZKTJOKCMSA-J
  • molecular weight:
    • 1089.98
  • Synonym(s):
    • 4-BNC-CoA
    • androst-4-en-3-one-17-propanoyl-CoA
    • 3-one-23,24-bisnorchol-4-en-22-yl-CoA
    • pregenenone-coA
    • 3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])[CH]6(CC[CH]7([CH]5(CCC4(=CC(=O)CCC(C)4[CH]5CCC(C)67))))" cannot be used as a page name in this wiki.



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